LAMMPS (7 Feb 2024 - Development - patch_7Feb2024_update1-442-gf1c2a22e2d)
WARNING: Using I/O redirection is unreliable with parallel runs. Better to use the -in switch to read input files. (../lammps.cpp:551)
# read a general triclinic data file

read_data     data.general
Reading data file ...
  triclinic box = (0 0 0) to (1.4142136 1.4142136 1) with tilt (-1.110223e-16 -1.110223e-16 1.4142136)
WARNING: Triclinic box skew is large. LAMMPS will run inefficiently. (../domain.cpp:221)
  2 by 1 by 2 MPI processor grid
  reading atoms ...
  2 atoms
  read_data CPU = 0.001 seconds

mass          * 1.0

write_data    tmp.data.general triclinic/general
System init for write_data ...
WARNING: Communication cutoff is 0.0. No ghost atoms will be generated. Atoms may get lost. (../comm_brick.cpp:210)

pair_style    lj/cut 1.2
pair_coeff    * * 1.0 1.0

neighbor      0.0 bin

thermo_style  custom step pe avecx avecy avecz bvecx bvecy bvecz               cvecx cvecy cvecz pxx pyy pzz vol
thermo_modify triclinic/general yes

dump          1 all custom 100 tmp.dump.general id type x y z
dump_modify   1 triclinic/general yes

run           0
WARNING: No fixes with time integration, atoms won't move (../verlet.cpp:60)
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update: every = 1 steps, delay = 0 steps, check = yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 1.2
  ghost atom cutoff = 1.2
  binsize = 0.6, bins = 3 5 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton/tri
      stencil: half/bin/3d/tri
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 2.966 | 2.997 | 3.091 Mbytes
   Step         PotEng         Avecx          Avecy          Avecz          Bvecx          Bvecy          Bvecz          Cvecx          Cvecy          Cvecz           Pxx            Pyy            Pzz           Volume    
         0   456.05603      1             -1              0              1              1              0              1              1              1              2555.5604      2555.5604      598.94037      2            
Loop time of 2.13e-06 on 4 procs for 0 steps with 2 atoms

70.4% CPU use with 4 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.13e-06   |            |       |100.00

Nlocal:            0.5 ave           2 max           0 min
Histogram: 3 0 0 0 0 0 0 0 0 1
Nghost:           47.5 ave          48 max          46 min
Histogram: 1 0 0 0 0 0 0 0 0 3
Neighs:            1.5 ave           6 max           0 min
Histogram: 3 0 0 0 0 0 0 0 0 1

Total # of neighbors = 6
Ave neighs/atom = 3
Neighbor list builds = 0
Dangerous builds = 0
Total wall time: 0:00:00
